SCHEMBL7478262

SCHEMBL7478262

COc1ccc(-c2cc(N)n3nc(-c4ccco4)nc3c2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F2 P00734 1/20 0.52
F12 P00748 1/20 0.52
MAPT P10636 1/20 0.52
FUBP1 Q96AE4 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7709135 0.87 ADORA2A (0.58) ADORA2AKMT2ASMN1; SMN2F2
SCHEMBL7486137 0.86 ADORA2A (0.54) ADORA2A
SCHEMBL7708829 0.85 ADORA2A (0.70) ADORA2ATP53SMN1; SMN2
SCHEMBL7479468 0.83 ADORA2A (0.54) ADORA2A
SCHEMBL7492811 0.83 ADORA2A (0.52) ADORA2ASMN1; SMN2
SCHEMBL7709121 0.83 CSNK1D (0.42) ADORA2AKMT2AMEN1TP53NFKB1
SCHEMBL7709129 0.82 ADORA2A (0.56) ADORA2A
SCHEMBL7487423 0.81 ADORA2A (0.56) ADORA2A
SCHEMBL7486021 0.81 ADORA2A (0.53) ADORA2A
SCHEMBL7489489 0.81 ADORA2A (0.58) ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP claimed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US claimed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO claimed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed